BioLiP

PDB

BioLiP

PDB CCD ID:

V61

Number of entries in BioLiP:

Chemical formula:

C9 H6 F4 I N O2

InChI:

InChI=1S/C9H6F4INO2/c10-4-2(1-3(15)9(16)17)5(11)7(13)8(14)6(4)12/h3H,1,15H2,(H,16,17)/t3-/m0/s1

InChIKey:

SLQALVZLWIWJLN-VKHMYHEASA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[CH](Cc1c(F)c(F)c(I)c(F)c1F)C(O)=O
CACTVS 3.385	N[C@@H](Cc1c(F)c(F)c(I)c(F)c1F)C(O)=O
OpenEye OEToolkits 2.0.7	C(c1c(c(c(c(c1F)F)I)F)F)[C@@H](C(=O)O)N
OpenEye OEToolkits 2.0.7	C(c1c(c(c(c(c1F)F)I)F)F)C(C(=O)O)N
ACDLabs 12.01	c1(c(c(c(c(c1F)CC(N)C(O)=O)F)F)I)F

Name:

2,3,5,6-tetrafluoro-4-iodo-L-phenylalanine

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).